GNPS Library Spectrum CCMSLIB00000078905

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078905
Compound NameBICALUTAMIDE
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078905
Precursor M/Z431.068
Exact Mass430.061
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-014r-0980100000-89a3faa58e22068394b8
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentBICALUTAMIDEDorrestein[M+H]Garg_Neha431.068negargN/A2014-05-06 20:38:41.0

Spectrum ID Ratings